Sugi Predict

Sugi Predict / Compounds / SCHEMBL7997679

SCHEMBL7997679

SCHEMBL7997679

Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(=O)N3CC(O)C3)c2)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 4/20 0.43
▸ VNN1 O95497 2/20 0.39
▸ HDAC1 Q13547 7/20 0.39
▸ KDM1A O60341 4/20 0.39
▸ P2RX3 P56373 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ ROCK2 O75116 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1495361 0.87 WDR5 (0.41) WDR5VNN1HDAC1KDM1AP2RX3
SCHEMBL1495396 0.87 WDR5 (0.47) WDR5VNN1HDAC1KDM1AP2RX3
SCHEMBL1495668 0.81 VNN1 (0.46) WDR5VNN1HDAC1P2RX3P2RX2
SCHEMBL1495667 0.81 VNN1 (0.46) WDR5VNN1HDAC1P2RX3P2RX2
SCHEMBL1495501 0.81 VNN1 (0.46) WDR5VNN1HDAC1P2RX3P2RX2
SCHEMBL7947046 0.80 P2RX3 (0.50) WDR5P2RX3P2RX2
SCHEMBL7996726 0.79 SCN5A (0.45) HDAC1KDM1AALDH1A1ROCK2
SCHEMBL1495586 0.79 P2RX3 (0.47) VNN1P2RX3P2RX2
SCHEMBL1495590 0.79 P2RX3 (0.47) VNN1P2RX3P2RX2
SCHEMBL1495379 0.79 AKR1C3 (0.44) VNN1HDAC1KDM1AP2RX3P2RX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 — — WO disclosed